BDBM46223 (4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one::(4Z)-4-[mercapto(1-piperidinyl)methylidene]-2-methoxy-1-cyclohexa-2,5-dienone::(4Z)-4-[mercapto(piperidino)methylene]-2-methoxy-cyclohexa-2,5-dien-1-one::MLS-0103602.0001::cid_5336454

SMILES: COc1cc(ccc1O)C(=S)N1CCCCC1

InChI Key: InChIKey=WWPIFOBKKAFENH-UHFFFAOYSA-N

Data: 16 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 46223   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM46223 ((4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylid...) Show SMILES COc1cc(ccc1O)C(=S)N1CCCCC1 Show InChI InChI=1S/C13H17NO2S/c1-16-12-9-10(5-6-11(12)15)13(17)14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2474894
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM46223 ((4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylid...) Show SMILES COc1cc(ccc1O)C(=S)N1CCCCC1 Show InChI InChI=1S/C13H17NO2S/c1-16-12-9-10(5-6-11(12)15)13(17)14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant VHR (unknown origin) using OMFP as substrate after 1 hr by fluorescence assay				Bioorg Med Chem 23: 2786-97 (2015) Article DOI: 10.1016/j.bmc.2015.03.075 BindingDB Entry DOI: 10.7270/Q2BG2QQD
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM46223 ((4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylid...) Show SMILES COc1cc(ccc1O)C(=S)N1CCCCC1 Show InChI InChI=1S/C13H17NO2S/c1-16-12-9-10(5-6-11(12)15)13(17)14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	366	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2DB807Z
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM46223 ((4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylid...) Show SMILES COc1cc(ccc1O)C(=S)N1CCCCC1 Show InChI InChI=1S/C13H17NO2S/c1-16-12-9-10(5-6-11(12)15)13(17)14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2DB807Z
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM46223 ((4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylid...) Show SMILES COc1cc(ccc1O)C(=S)N1CCCCC1 Show InChI InChI=1S/C13H17NO2S/c1-16-12-9-10(5-6-11(12)15)13(17)14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	958	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q28K77H7
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM46223 ((4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylid...) Show SMILES COc1cc(ccc1O)C(=S)N1CCCCC1 Show InChI InChI=1S/C13H17NO2S/c1-16-12-9-10(5-6-11(12)15)13(17)14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29G5K79
					More data for this Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM46223 ((4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylid...) Show SMILES COc1cc(ccc1O)C(=S)N1CCCCC1 Show InChI InChI=1S/C13H17NO2S/c1-16-12-9-10(5-6-11(12)15)13(17)14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	84.6	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q21N7ZJW
					More data for this Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM46223 ((4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylid...) Show SMILES COc1cc(ccc1O)C(=S)N1CCCCC1 Show InChI InChI=1S/C13H17NO2S/c1-16-12-9-10(5-6-11(12)15)13(17)14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q21N7ZJW
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM46223 ((4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylid...) Show SMILES COc1cc(ccc1O)C(=S)N1CCCCC1 Show InChI InChI=1S/C13H17NO2S/c1-16-12-9-10(5-6-11(12)15)13(17)14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2WW7G20
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM46223 ((4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylid...) Show SMILES COc1cc(ccc1O)C(=S)N1CCCCC1 Show InChI InChI=1S/C13H17NO2S/c1-16-12-9-10(5-6-11(12)15)13(17)14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2WW7G20
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM46223 ((4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylid...) Show SMILES COc1cc(ccc1O)C(=S)N1CCCCC1 Show InChI InChI=1S/C13H17NO2S/c1-16-12-9-10(5-6-11(12)15)13(17)14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2445JXV
					More data for this Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a (Homo sapiens (Human))	BDBM46223 ((4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylid...) Show SMILES COc1cc(ccc1O)C(=S)N1CCCCC1 Show InChI InChI=1S/C13H17NO2S/c1-16-12-9-10(5-6-11(12)15)13(17)14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2DV1HGT
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM46223 ((4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylid...) Show SMILES COc1cc(ccc1O)C(=S)N1CCCCC1 Show InChI InChI=1S/C13H17NO2S/c1-16-12-9-10(5-6-11(12)15)13(17)14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2959G44
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM46223 ((4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylid...) Show SMILES COc1cc(ccc1O)C(=S)N1CCCCC1 Show InChI InChI=1S/C13H17NO2S/c1-16-12-9-10(5-6-11(12)15)13(17)14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2T43RPN
					More data for this Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a (Homo sapiens (Human))	BDBM46223 ((4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylid...) Show SMILES COc1cc(ccc1O)C(=S)N1CCCCC1 Show InChI InChI=1S/C13H17NO2S/c1-16-12-9-10(5-6-11(12)15)13(17)14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2KH0KWR
					More data for this Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM46223 ((4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylid...) Show SMILES COc1cc(ccc1O)C(=S)N1CCCCC1 Show InChI InChI=1S/C13H17NO2S/c1-16-12-9-10(5-6-11(12)15)13(17)14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2474894
					More data for this Ligand-Target Pair